1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide

C14H17N5O — CID 79316298

IUPAC1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide
SMILESCc1ccccc1N(C)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C14H17N5O/c1-10-5-3-4-6-13(10)18(2)14(20)12-9-19(17-16-12)11-7-15-8-11/h3-6,9,11,15H,7-8H2,1-2H3
InChIKeyPKGASSCEZCNCSU-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.01
Rot. Bonds3

About 1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide (PubChem CID 79316298) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide
PubChem CID79316298
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide
SMILESCc1ccccc1N(C)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C14H17N5O/c1-10-5-3-4-6-13(10)18(2)14(20)12-9-19(17-16-12)11-7-15-8-11/h3-6,9,11,15H,7-8H2,1-2H3
InChIKeyPKGASSCEZCNCSU-UHFFFAOYSA-N
XLogP1.01
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide
CID 79318707
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide
CID 114230177
2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-propylamino]acetic acid
CID 79316931
2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-methylamino]butanoic acid
CID 79317005
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690
1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide
CID 79317057
[1-(azetidin-3-yl)triazol-4-yl]-(5-methylthiophen-2-yl)methanone
CID 116590601
[1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone
CID 116590778
1-(azetidin-3-yl)-N-(2-iodophenyl)triazole-4-carboxamide
CID 79316829
1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide
CID 79316126
1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide
CID 79316224
1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide
CID 79316701

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide (CID 79316298) is 1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide is Cc1ccccc1N(C)C(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide?
The InChIKey is PKGASSCEZCNCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10-5-3-4-6-13(10)18(2)14(20)12-9-19(17-16-12)11-7-15-8-11/h3-6,9,11,15H,7-8H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 79316298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).